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CHEBI:226240 - Talarolactone A

ChEBI IDCHEBI:226240
ChEBI NameTalarolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5S
Net Charge0
Average Mass280.301
Monoisotopic Mass280.04054
SMILESCOc1cc(C(=O)O)c2c3c1C(=O)O[C@@H](C)[C@@H]3CS2
InChIInChI=1S/C13H12O5S/c1-5-7-4-19-11-6(12(14)15)3-8(17-2)10(9(7)11)13(16)18-5/h3,5,7H,4H2,1-2H3,(H,14,15)/t5-,7-/m0/s1
InChIKeyVJIDDYWMOLKPQK-FSPLSTOPSA-N
Species of MetaboliteComponentSourceComments
Talaromycesspecies (ncbitaxon:1707706) - PubMed (32315180)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
Talarolactone A (CHEBI:226240) is a phthalate ester (CHEBI:35484)
IUPAC Name 
(4R,5S)-9-methoxy-5-methyl-7-oxo-6-oxa-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-11-carboxylic acid